Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.5058   -0.7820    0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -0.4798    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2370   -0.0681    1.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624    0.3446    0.2632 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2364   -0.4500   -1.0586 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675    2.0742   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797    2.6590   -1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630    3.0868    0.8853 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5565   -0.0926    1.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0081   -1.3392    0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785   -0.9963    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0671   -1.0695   -0.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6046   -1.6597    1.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0345    0.0877    0.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5847   -1.3924   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1582    0.3357   -0.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1572    3.7828   -1.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917    2.2606   -1.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2713   -1.7102   -0.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1568   -2.0057    1.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2473   -1.3703    0.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3772    0.1332   -0.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268   -1.3489   -1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers